2-chloro-5-methoxy-4-phenylpyrimidine

C11H9ClN2O — CID 23241857

IUPAC2-chloro-5-methoxy-4-phenylpyrimidine
SMILESCOc1cnc(Cl)nc1-c1ccccc1
InChIInChI=1S/C11H9ClN2O/c1-15-9-7-13-11(12)14-10(9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyQONZECIGKHABNC-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.81
Rot. Bonds2

About 2-chloro-5-methoxy-4-phenylpyrimidine

2-chloro-5-methoxy-4-phenylpyrimidine (PubChem CID 23241857) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-chloro-5-methoxy-4-phenylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-methoxy-4-phenylpyrimidine
PubChem CID23241857
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name2-chloro-5-methoxy-4-phenylpyrimidine
SMILESCOc1cnc(Cl)nc1-c1ccccc1
InChIInChI=1S/C11H9ClN2O/c1-15-9-7-13-11(12)14-10(9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyQONZECIGKHABNC-UHFFFAOYSA-N
XLogP2.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-4-phenylpyrimidine?
The IUPAC name of 2-chloro-5-methoxy-4-phenylpyrimidine (CID 23241857) is 2-chloro-5-methoxy-4-phenylpyrimidine.
What is the SMILES notation for 2-chloro-5-methoxy-4-phenylpyrimidine?
The canonical SMILES for 2-chloro-5-methoxy-4-phenylpyrimidine is COc1cnc(Cl)nc1-c1ccccc1.
What is the InChIKey of 2-chloro-5-methoxy-4-phenylpyrimidine?
The InChIKey is QONZECIGKHABNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-15-9-7-13-11(12)14-10(9)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 2-chloro-5-methoxy-4-phenylpyrimidine?
2-chloro-5-methoxy-4-phenylpyrimidine has a molecular weight of 220.66 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-4-phenylpyrimidine is sourced from PubChem (CID 23241857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).